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Benzoic acid, 2,4-dimethyl-, undecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzoic acid, 2,4-dimethyl-, undecyl ester
SpectraBase Compound ID 6AQrnOROYL6
InChI InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-15-22-20(21)19-14-13-17(2)16-18(19)3/h13-14,16H,4-12,15H2,1-3H3
InChIKey JPVXDGJRJWPDTR-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5TjDO3IHjrw
Name Benzoic acid, 2,4-dimethyl-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-15-22-20(21)19-14-13-17(2)16-18(19)3/h13-14,16H,4-12,15H2,1-3H3
InChIKey JPVXDGJRJWPDTR-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907378